3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea

C15H24N2O2 — CID 60600590

IUPAC3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
SMILESCCOc1cccc(C(C)NC(=O)N(CC)CC)c1
InChIInChI=1S/C15H24N2O2/c1-5-17(6-2)15(18)16-12(4)13-9-8-10-14(11-13)19-7-3/h8-12H,5-7H2,1-4H3,(H,16,18)
InChIKeyDRYUDULFECLQHL-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.20
Rot. Bonds6

About 3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea

3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea (PubChem CID 60600590) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
PubChem CID60600590
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
SMILESCCOc1cccc(C(C)NC(=O)N(CC)CC)c1
InChIInChI=1S/C15H24N2O2/c1-5-17(6-2)15(18)16-12(4)13-9-8-10-14(11-13)19-7-3/h8-12H,5-7H2,1-4H3,(H,16,18)
InChIKeyDRYUDULFECLQHL-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111432554
4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673043
(2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 124683253
1-[(4-cyanophenyl)methyl]-3-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-methylurea
CID 95155150
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 119745540
trans-(1S,2S)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132003
5-[1-(3-ethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685225
1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
CID 115598127

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea?
The IUPAC name of 3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea (CID 60600590) is 3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea.
What is the SMILES notation for 3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea?
The canonical SMILES for 3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea is CCOc1cccc(C(C)NC(=O)N(CC)CC)c1.
What is the InChIKey of 3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea?
The InChIKey is DRYUDULFECLQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-17(6-2)15(18)16-12(4)13-9-8-10-14(11-13)19-7-3/h8-12H,5-7H2,1-4H3,(H,16,18).
What are the key properties of 3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea?
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea has a molecular weight of 264.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea is sourced from PubChem (CID 60600590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).